0 mol 14 unq 0 iso 0 dist 4.76499 9.54103 5.83805 9.22226 7.13488 9.81815 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.98837 7.85354 4.94576 7.89222 5.63833 6.76331 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 6.25761 6.85245 5.02457 9.53735 10.4631 5.60332 numMergedOcc 0
3 mol 26 unq 2 iso 0 dist 9.02604 6.85245 7.48486 9.53735 4.77336 5.60332 numMergedOcc 0
4 mol 28 unq 0 iso 0 dist 6.59687 7.84931 3.97968 6.68029 8.79502 7.09981 numMergedOcc 0
5 mol 28 unq 1 iso 0 dist 9.70195 6.64392 3.97968 6.44166 8.79502 7.09981 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 7.34695 9.1695 13.432 5.0478 5.01159 11.6507 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.60633 8.90164 11.8756 8.14607 10.8667 6.29197 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 8.05582 8.9024 11.6335 6.07433 5.21899 11.4438 numMergedOcc 0
9 mol 103 unq 0 iso 0 dist 9.88046 7.68908 6.45093 6.87901 7.68855 10.3138 numMergedOcc 0
10 mol 103 unq 1 iso 0 dist 9.88046 7.95587 6.23953 6.87901 7.68855 8.49357 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 8.37011 9.93751 8.39391 6.73172 5.42112 9.76776 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 4.97091 7.35639 5.67723 9.82907 6.11353 9.70449 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 6.50055 7.21606 6.98313 5.6688 5.71112 5.10499 numMergedOcc 0
14 mol 203 unq 0 iso 0 dist 9.38519 9.75662 8.14358 6.89817 6.52977 7.85301 numMergedOcc 0
15 mol 203 unq 1 iso 0 dist 9.38519 9.80432 11.0843 6.89817 6.52977 4.76871 numMergedOcc 0
16 mol 203 unq 2 iso 0 dist 9.38519 6.86448 6.15611 6.89817 6.52977 5.81172 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 5.42362 8.66923 13.3786 8.03226 6.77421 14.9927 numMergedOcc 0
18 mol 247 unq 0 iso 0 dist 7.80979 8.0367 7.65022 6.76933 6.96883 11.1195 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 8.63478 7.68243 10.4543 6.8795 7.1759 5.45911 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 8.08865 7.68243 5.06818 6.8795 8.60998 5.45911 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 9.39756 4.87063 11.9416 8.16917 13.0786 4.49309 numMergedOcc 0
22 mol 272 unq 1 iso 0 dist 9.39756 8.56255 15.768 8.16917 13.0786 3.93924 numMergedOcc 0
